(3Z)-2-(3-fluoropropoxy)-6,9-dimethyl-5-methylidenedeca-1,3-diene

C16H27FO — CID 144978935

IUPAC(3Z)-2-(3-fluoropropoxy)-6,9-dimethyl-5-methylidenedeca-1,3-diene
SMILESC=C(/C=C\C(=C)C(C)CCC(C)C)OCCCF
InChIInChI=1S/C16H27FO/c1-13(2)7-8-14(3)15(4)9-10-16(5)18-12-6-11-17/h9-10,13-14H,4-8,11-12H2,1-3H3/b10-9-
InChIKeyDQGPNPBMVPVVMU-KTKRTIGZSA-N
MW254.39 g/mol
LogP5.06
Rot. Bonds10

About (3Z)-2-(3-fluoropropoxy)-6,9-dimethyl-5-methylidenedeca-1,3-diene

(3Z)-2-(3-fluoropropoxy)-6,9-dimethyl-5-methylidenedeca-1,3-diene (PubChem CID 144978935) has the molecular formula C16H27FO and a molecular weight of 254.39 g/mol. Its IUPAC name is (3Z)-2-(3-fluoropropoxy)-6,9-dimethyl-5-methylidenedeca-1,3-diene.

Molecular Properties

Compound Name(3Z)-2-(3-fluoropropoxy)-6,9-dimethyl-5-methylidenedeca-1,3-diene
PubChem CID144978935
Molecular FormulaC16H27FO
Molecular Weight254.39 g/mol
Exact Mass254.20
IUPAC Name(3Z)-2-(3-fluoropropoxy)-6,9-dimethyl-5-methylidenedeca-1,3-diene
SMILESC=C(/C=C\C(=C)C(C)CCC(C)C)OCCCF
InChIInChI=1S/C16H27FO/c1-13(2)7-8-14(3)15(4)9-10-16(5)18-12-6-11-17/h9-10,13-14H,4-8,11-12H2,1-3H3/b10-9-
InChIKeyDQGPNPBMVPVVMU-KTKRTIGZSA-N
XLogP5.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.39
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-2-(3-fluoropropoxy)-6,9-dimethyl-5-methylidenedeca-1,3-diene?
The IUPAC name of (3Z)-2-(3-fluoropropoxy)-6,9-dimethyl-5-methylidenedeca-1,3-diene (CID 144978935) is (3Z)-2-(3-fluoropropoxy)-6,9-dimethyl-5-methylidenedeca-1,3-diene.
What is the SMILES notation for (3Z)-2-(3-fluoropropoxy)-6,9-dimethyl-5-methylidenedeca-1,3-diene?
The canonical SMILES for (3Z)-2-(3-fluoropropoxy)-6,9-dimethyl-5-methylidenedeca-1,3-diene is C=C(/C=C\C(=C)C(C)CCC(C)C)OCCCF.
What is the InChIKey of (3Z)-2-(3-fluoropropoxy)-6,9-dimethyl-5-methylidenedeca-1,3-diene?
The InChIKey is DQGPNPBMVPVVMU-KTKRTIGZSA-N. The full InChI is InChI=1S/C16H27FO/c1-13(2)7-8-14(3)15(4)9-10-16(5)18-12-6-11-17/h9-10,13-14H,4-8,11-12H2,1-3H3/b10-9-.
What are the key properties of (3Z)-2-(3-fluoropropoxy)-6,9-dimethyl-5-methylidenedeca-1,3-diene?
(3Z)-2-(3-fluoropropoxy)-6,9-dimethyl-5-methylidenedeca-1,3-diene has a molecular weight of 254.39 g/mol, XLogP of 5.06, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-2-(3-fluoropropoxy)-6,9-dimethyl-5-methylidenedeca-1,3-diene is sourced from PubChem (CID 144978935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).